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CHEBI:41425 - (7R)-7-(4-carboxybutanamido)cephalosporanic acid
| Formula | C15H18N2O8S |
| Net Charge | 0 |
| Average Mass | 386.382 |
| Monoisotopic Mass | 386.07839 |
| SMILES | [H][C@]12SCC(COC(C)=O)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)CCCC(=O)O |
| InChI | InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1 |
| InChIKey | IXUSDMGLUJZNFO-BXUZGUMPSA-N |
| Roles Classification |
|---|
| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Application: | drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7R)-7-(4-carboxybutanamido)cephalosporanic acid (CHEBI:41425) has functional parent cephalosporanic acid (CHEBI:23064) |
| (7R)-7-(4-carboxybutanamido)cephalosporanic acid (CHEBI:41425) is a cephalosporin (CHEBI:23066) |
| (7R)-7-(4-carboxybutanamido)cephalosporanic acid (CHEBI:41425) is conjugate acid of (7R)-7-(4-carboxylatobutanamido)cephalosporanate (CHEBI:58693) |
| Incoming Relation(s) |
| (7R)-7-(4-carboxylatobutanamido)cephalosporanate (CHEBI:58693) is conjugate base of (7R)-7-(4-carboxybutanamido)cephalosporanic acid (CHEBI:41425) |
| IUPAC Name |
|---|
| (6R,7R)-3-[(acetyloxy)methyl]-7-(4-carboxybutanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| 7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID | PDBeChem |
| (7R)-7-(4-Carboxybutanamido)cephalosporanate | KEGG COMPOUND |
| 7-Glutarylaminocephalosporanate | KEGG COMPOUND |
| Glutaryl-7-aminocephalosporanic acid | ChemIDplus |
| Gl-7-Aca | ChemIDplus |
| Glutaryl-7-aca | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:1183847 | Beilstein |
| CAS:27920-90-7 | ChemIDplus |